ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea

C12H24N2O — CID 145170261

IUPACethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea
SMILESC/C=C\C(=C/C)NC(=O)NCCC.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-4-7-9(6-3)12-10(13)11-8-5-2;1-2/h4,6-7H,5,8H2,1-3H3,(H2,11,12,13);1-2H3/b7-4-,9-6+;
InChIKeyVPHAQIVPFUJVMU-XEAPTMNZSA-N
MW212.34 g/mol
LogP3.20
Rot. Bonds4

About ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea (PubChem CID 145170261) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea
PubChem CID145170261
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nameethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea
SMILESC/C=C\C(=C/C)NC(=O)NCCC.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-4-7-9(6-3)12-10(13)11-8-5-2;1-2/h4,6-7H,5,8H2,1-3H3,(H2,11,12,13);1-2H3/b7-4-,9-6+;
InChIKeyVPHAQIVPFUJVMU-XEAPTMNZSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Dihydro-6-methyl-2(1H)-pyrimidinon
CID 54149606
3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-1,1-dipropylurea
CID 145488014
1-[(1E,3Z)-4-amino-1-fluorobuta-1,3-dien-2-yl]-3-propylurea
CID 163743081
1-[(4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]-3-methylurea
CID 173471536
2,3-Dihydro-1h-pyrido[1,2-c]pyrimidin-1-one
CID 129784766
1-[(2Z,4Z,6E)-7-bromo-2-fluoroocta-2,4,6-trien-3-yl]-3-ethylurea
CID 145116695
1-Butan-2-yl-3-prop-2-en-1-ylurea
CID 17217772
1-methyl-2H-imidazo[1,5-a]pyridin-3-one
CID 12203711
N-propan-2-yl-2H-pyridine-1-carboxamide
CID 21842485
3-Methyl-2,8-dihydropyrido[1,2-c]pyrimidin-1-one
CID 59652110
N-tert-butyl-2H-pyridine-1-carboxamide
CID 69162604
1-[2-(Dimethylamino)ethyl]-3-phenylurea;palladium
CID 87890437

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea?
The IUPAC name of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea (CID 145170261) is ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea.
What is the SMILES notation for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea?
The canonical SMILES for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea is C/C=C\C(=C/C)NC(=O)NCCC.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea?
The InChIKey is VPHAQIVPFUJVMU-XEAPTMNZSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-4-7-9(6-3)12-10(13)11-8-5-2;1-2/h4,6-7H,5,8H2,1-3H3,(H2,11,12,13);1-2H3/b7-4-,9-6+;.
What are the key properties of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea?
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea has a molecular weight of 212.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-propylurea is sourced from PubChem (CID 145170261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).